First-principle calculation of equilibrium cesium ion-pair acidities in tetrahydrofuran

Journal of the American Chemical Society

Volumn 129, Issue 44, 2007, Pages 13510-13519

  Fu, Yao ^a,b   Shen, Kuang ^b   Liu, Lei ^a,b   Guo, Qing Xiang ^b  

^a Tsinghua University   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CESIUM; IONS; NITROGEN; ORGANIC ACIDS; SOLVATION;

CESIUM ION PAIRS; FIRST PRINCIPLE CALCULATION; SYNTHETIC ORGANIC CHEMISTRY; TETRAHYDROFURAN;

ACIDITY;

CARBON; CARBOXYLIC ACID; CESIUM; DIMETHYL SULFOXIDE; NITROGEN ACID DERIVATIVE; ORGANIC COMPOUND; TETRAHYDROFURAN;

ACCURACY; ACIDITY; ARTICLE; CALCULATION; COMPLEX FORMATION; ENERGY; EQUILIBRIUM CONSTANT; MEASUREMENT; PREDICTION; QUANTITATIVE ANALYSIS; SOLVATION; SYNTHESIS; THEORETICAL MODEL;

CESIUM; FURANS; HYDROGEN-ION CONCENTRATION; IONS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; PROTONS; QUANTUM THEORY; SOLVENTS; STEREOISOMERISM;

EID: 35948976259     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja073548f     Document Type: Article

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